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Merck
CN

591696

Sigma-Aldrich

Benzhydryl isothiocyanate

97%

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About This Item

Linear Formula:
(C6H5)2CHNCS
CAS Number:
3550-21-8
Molecular Weight:
225.31
MDL number:
MFCD00046815
UNSPSC Code:
12352100
PubChem Substance ID:
24881352
NACRES:
NA.22

Key Documents

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Assay

97%

mp

57-61 °C (lit.)

functional group

amine
isothiocyanate
phenyl

storage temp.

2-8°C

SMILES string

S=C=NC(c1ccccc1)c2ccccc2

InChI

1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H

InChI key

WDOSFTZMBFYTED-UHFFFAOYSA-N

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBX4694V
00626DH
06626TA

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